| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70866074 |
Structure
| InChI Key | YNCRZEUPMCYHDT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H12ClOPS2 |
| Molecular Weight | 217.98 |
| AlogP | 3.63 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 9.23 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 42069-01-2 |
| NORMAN SUSDAT | |
| PubChem | 170605 |
CONTENTS
